4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide

C23H28N2O — CID 56800513

IUPAC4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide
SMILESCN1CCCC(NC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1
InChIInChI=1S/C23H28N2O/c1-25-13-5-8-20(16-25)24-23(26)10-4-6-17-11-12-19-15-18-7-2-3-9-21(18)22(19)14-17/h2-3,7,9,11-12,14,20H,4-6,8,10,13,15-16H2,1H3,(H,24,26)
InChIKeyDHHPTCWYCSUJNT-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.79
Rot. Bonds5

About 4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide

4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide (PubChem CID 56800513) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide
PubChem CID56800513
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide
SMILESCN1CCCC(NC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1
InChIInChI=1S/C23H28N2O/c1-25-13-5-8-20(16-25)24-23(26)10-4-6-17-11-12-19-15-18-7-2-3-9-21(18)22(19)14-17/h2-3,7,9,11-12,14,20H,4-6,8,10,13,15-16H2,1H3,(H,24,26)
InChIKeyDHHPTCWYCSUJNT-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453666
1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one
CID 119381181
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
(2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid
CID 119370153
3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide
CID 96523044
2-(2-fluorophenyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 47344420
3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 52532296
3-(3-fluorophenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 110737633
4-hydroxy-N-(1-methylpiperidin-3-yl)pentanamide
CID 79191755
N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide
CID 121458775
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 70737771

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide?
The IUPAC name of 4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide (CID 56800513) is 4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide.
What is the SMILES notation for 4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide?
The canonical SMILES for 4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide is CN1CCCC(NC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1.
What is the InChIKey of 4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide?
The InChIKey is DHHPTCWYCSUJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-25-13-5-8-20(16-25)24-23(26)10-4-6-17-11-12-19-15-18-7-2-3-9-21(18)22(19)14-17/h2-3,7,9,11-12,14,20H,4-6,8,10,13,15-16H2,1H3,(H,24,26).
What are the key properties of 4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide?
4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide has a molecular weight of 348.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide is sourced from PubChem (CID 56800513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).